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Train Physics-Informed Neural Networks (PINNs) using DeepXDE. Solve forward and inverse PDE problems by embedding physics equations into the neural network loss function. Supports 1D/2D/3D, time-dependent, and parametric PDEs.

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Expert guidance for GRPO/RL fine-tuning with TRL for reasoning and task-specific model training

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Expert guidance for distributed training with DeepSpeed - ZeRO optimization stages, pipeline parallelism, FP16/BF16/FP8, 1-bit Adam, sparse attention

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Provides guidance for performing causal interventions on PyTorch models using pyvene's declarative intervention framework. Use when conducting causal tracing, activation patching, interchange intervention training, or testing causal hypotheses about model behavior.

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Train Mixture of Experts (MoE) models using DeepSpeed or HuggingFace. Use when training large-scale models with limited compute (5× cost reduction vs dense models), implementing sparse architectures like Mixtral 8x7B or DeepSeek-V3, or scaling model capacity without proportional compute increase. Covers MoE architectures, routing mechanisms, load balancing, expert parallelism, and inference optimization.

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Evaluates LLMs across 100+ benchmarks from 18+ harnesses (MMLU, HumanEval, GSM8K, safety, VLM) with multi-backend execution. Use when needing scalable evaluation on local Docker, Slurm HPC, or cloud platforms. NVIDIA's enterprise-grade platform with container-first architecture for reproducible benchmarking.

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Fine-tune LLMs using reinforcement learning with TRL - SFT for instruction tuning, DPO for preference alignment, PPO/GRPO for reward optimization, and reward model training. Use when need RLHF, align model with preferences, or train from human feedback. Works with HuggingFace Transformers.

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Merge multiple fine-tuned models using mergekit to combine capabilities without retraining. Use when creating specialized models by blending domain-specific expertise (math + coding + chat), improving performance beyond single models, or experimenting rapidly with model variants. Covers SLERP, TIES-Merging, DARE, Task Arithmetic, linear merging, and production deployment strategies.

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Provides guidance for interpreting and manipulating neural network internals using nnsight with optional NDIF remote execution. Use when needing to run interpretability experiments on massive models (70B+) without local GPU resources, or when working with any PyTorch architecture.

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Training patterns for autoregressive neural PDE solvers (FNO, DeepONet, CNO). Covers rollout training, noise injection for stability, multi-component loss functions (H1, frequency-sensitive, boundary-aware), per-channel normalization for coupled multi-variable systems, and the PDEBench nRMSE metric. Use when training any neural operator that predicts time-dependent PDE solutions.

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GPU-accelerated data curation for LLM training. Supports text/image/video/audio. Features fuzzy deduplication (16× faster), quality filtering (30+ heuristics), semantic deduplication, PII redaction, NSFW detection. Scales across GPUs with RAPIDS. Use for preparing high-quality training datasets, cleaning web data, or deduplicating large corpora.

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Solve partial differential equations — finite differences, spectral methods, and physics-informed neural networks (PINNs via DeepXDE). Supports 1D/2D/3D, steady/transient, linear/nonlinear PDEs with Dirichlet, Neumann, and periodic boundary conditions.

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Framework for computational fluid dynamics simulations using Python. Use when running fluid dynamics simulations including Navier-Stokes equations (2D/3D), shallow water equations, stratified flows, or when analyzing turbulence, vortex dynamics, or geophysical flows. Provides pseudospectral methods with FFT, HPC support, and comprehensive output analysis.

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High-level PyTorch framework with Trainer class, automatic distributed training (DDP/FSDP/DeepSpeed), callbacks system, and minimal boilerplate. Scales from laptop to supercomputer with same code. Use when you want clean training loops with built-in best practices.

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Visualize training metrics, debug models with histograms, compare experiments, visualize model graphs, and profile performance with TensorBoard - Google's ML visualization toolkit

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Comprehensive toolkit for preparing ISO 13485 certification documentation for medical device Quality Management Systems. Use when users need help with ISO 13485 QMS documentation, including (1) conducting gap analysis of existing documentation, (2) creating Quality Manuals, (3) developing required procedures and work instructions, (4) preparing Medical Device Files, (5) understanding ISO 13485 requirements, or (6) identifying missing documentation for medical device certification. Also use when users mention medical device regulations, QMS certification, FDA QMSR, EU MDR, or need help with quality system documentation.

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Bayesian parameter estimation with MCMC (emcee) and probabilistic programming (PyMC). Posterior distributions, corner plots, model evidence, convergence diagnostics. Use when you need full posterior distributions, not just point estimates.

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Discover conserved quantities and symmetries from trajectory data. Identifies energy, momentum, angular momentum, and custom invariants using neural networks and symbolic methods. Inspired by Noether's theorem.

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Computational fluid dynamics — Navier-Stokes solvers, lid-driven cavity, channel flow, vortex methods, turbulence statistics, drag/lift computation. Spectral and finite-difference methods for incompressible and compressible flows.

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Hamiltonian mechanics — symplectic integrators (leapfrog, Yoshida), Hamilton's equations, Poisson brackets, canonical transformations, action-angle variables, and KAM theory analysis. Use for energy-conserving long-time integration of conservative systems.

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Half-Quadratic Quantization for LLMs without calibration data. Use when quantizing models to 4/3/2-bit precision without needing calibration datasets, for fast quantization workflows, or when deploying with vLLM or HuggingFace Transformers.

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This skill should be used at the start of any computationally intensive scientific task to detect and report available system resources (CPU cores, GPUs, memory, disk space). It creates a JSON file with resource information and strategic recommendations that inform computational approach decisions such as whether to use parallel processing (joblib, multiprocessing), out-of-core computing (Dask, Zarr), GPU acceleration (PyTorch, JAX), or memory-efficient strategies. Use this skill before running analyses, training models, processing large datasets, or any task where resource constraints matter.

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Provides guidance for mechanistic interpretability research using TransformerLens to inspect and manipulate transformer internals via HookPoints and activation caching. Use when reverse-engineering model algorithms, studying attention patterns, or performing activation patching experiments.

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This skill should be used when working with genomic interval data (BED files) for machine learning tasks. Use for training region embeddings (Region2Vec, BEDspace), single-cell ATAC-seq analysis (scEmbed), building consensus peaks (universes), or any ML-based analysis of genomic regions. Applies to BED file collections, scATAC-seq data, chromatin accessibility datasets, and region-based genomic feature learning.

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